Molecule ID: mol4730
SMILES: Nc1ncc2ncc(O)nc2n1
InChI: InChI=1S/C6H5N5O/c7-6-9-1-3-5(11-6)10-4(12)2-8-3/h1-2H,(H3,7,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |